3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide

C13H13BrN2O2S — CID 60729110

IUPAC3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1cccnc1)c1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O2S/c14-12-4-1-5-13(9-12)19(17,18)16-8-6-11-3-2-7-15-10-11/h1-5,7,9-10,16H,6,8H2
InChIKeyULKPOGYKNJYGNZ-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.37
Rot. Bonds5

About 3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide

3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 60729110) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID60729110
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1cccnc1)c1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O2S/c14-12-4-1-5-13(9-12)19(17,18)16-8-6-11-3-2-7-15-10-11/h1-5,7,9-10,16H,6,8H2
InChIKeyULKPOGYKNJYGNZ-UHFFFAOYSA-N
XLogP2.37
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide
CID 55560053
2-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-sulfonamide
CID 54895970
3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 7514376
3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60895708
3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 2551997
5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 64608921
N-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide
CID 90765616
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 37265711
2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 80712268
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide (CID 60729110) is 3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide is O=S(=O)(NCCc1cccnc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is ULKPOGYKNJYGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c14-12-4-1-5-13(9-12)19(17,18)16-8-6-11-3-2-7-15-10-11/h1-5,7,9-10,16H,6,8H2.
What are the key properties of 3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide has a molecular weight of 341.23 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 60729110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).